1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one

C19H26N2O3 — CID 126441920

IUPAC1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1
InChIInChI=1S/C19H26N2O3/c1-2-18(22)20-11-8-15(9-12-20)19(23)21-13-10-17(14-21)24-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3/t17-/m1/s1
InChIKeyNTCMSUKUERLUDE-QGZVFWFLSA-N
MW330.43 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 126441920) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID126441920
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1
InChIInChI=1S/C19H26N2O3/c1-2-18(22)20-11-8-15(9-12-20)19(23)21-13-10-17(14-21)24-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3/t17-/m1/s1
InChIKeyNTCMSUKUERLUDE-QGZVFWFLSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
CID 159433651
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one
CID 156714630
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75411596
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
1-(4-phenoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79287472

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 126441920) is 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1.
What is the InChIKey of 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is NTCMSUKUERLUDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-18(22)20-11-8-15(9-12-20)19(23)21-13-10-17(14-21)24-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126441920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).